Ba6 Ni25 S27 Gelabert M, Ho M, Malik A, DiSalvo F, Deniard P, Brec R Chemistry - A European Journal 3 (1997) 1884-1889 Structure and properties of Ba6 Ni25 S27 _cod_database_code 1005034 _database_code_amcsd 0012194 CELL PARAMETERS: 10.0565 10.0565 10.0565 90.000 90.000 90.000 SPACE GROUP: Pm3m X-RAY WAVELENGTH: 1.541838 Cell Volume: 1017.046 Density (g/cm3): 5.154 MAX. ABS. INTENSITY / VOLUME**2: 45.69769919 RIR: 2.887 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.79 3.02 10.0565 1 0 0 6 12.45 3.09 7.1110 1 1 0 12 15.26 5.40 5.8061 1 1 1 8 17.64 1.76 5.0283 2 0 0 6 21.65 14.91 4.1055 2 1 1 24 26.59 29.90 3.3522 2 2 1 24 26.59 41.80 3.3522 3 0 0 6 28.06 91.90 3.1801 3 1 0 24 29.46 54.12 3.0321 3 1 1 24 30.80 87.74 2.9031 2 2 2 8 32.09 14.74 2.7892 3 2 0 24 33.34 2.84 2.6877 3 2 1 48 36.85 15.12 2.4391 4 1 0 24 36.85 1.99 2.4391 3 2 2 24 37.96 1.42 2.3703 4 1 1 24 37.96 5.35 2.3703 3 3 0 12 39.04 91.32 2.3071 3 3 1 24 40.10 16.53 2.2487 4 2 0 24 41.13 20.28 2.1945 4 2 1 48 42.15 6.53 2.1441 3 3 2 24 44.12 5.97 2.0528 4 2 2 24 45.08 4.49 2.0113 5 0 0 6 46.02 1.44 1.9722 4 3 1 48 46.95 19.14 1.9354 5 1 1 24 46.95 2.86 1.9354 3 3 3 8 48.76 11.43 1.8674 5 2 0 24 48.76 4.85 1.8674 4 3 2 48 49.65 10.22 1.8361 5 2 1 48 51.40 100.00 1.7778 4 4 0 12 52.26 5.23 1.7506 5 2 2 24 52.26 5.60 1.7506 4 4 1 24 53.10 27.96 1.7247 4 3 3 24 53.94 1.01 1.6999 5 3 1 48 54.77 16.69 1.6761 6 0 0 6 58.79 2.27 1.5706 5 4 0 24 58.79 3.78 1.5706 4 4 3 24 59.58 2.71 1.5518 5 4 1 48 61.13 10.10 1.5161 6 2 2 24 61.89 13.86 1.4991 6 3 0 24 61.89 10.31 1.4991 5 4 2 48 62.65 6.94 1.4828 6 3 1 48 66.38 4.25 1.4082 7 1 1 24 66.38 2.58 1.4082 5 5 1 24 67.85 1.34 1.3814 6 4 1 48 67.85 4.40 1.3814 7 2 0 24 68.57 3.92 1.3685 6 3 3 24 68.57 5.02 1.3685 5 5 2 24 71.44 15.34 1.3205 7 3 0 24 72.15 6.47 1.3092 7 3 1 48 72.15 3.06 1.3092 5 5 3 24 75.65 9.07 1.2571 8 0 0 6 76.35 3.16 1.2474 7 4 0 24 76.35 1.02 1.2474 6 5 2 48 76.35 1.63 1.2474 8 1 0 24 77.04 2.84 1.2379 7 4 1 48 77.04 2.74 1.2379 8 1 1 24 77.73 18.97 1.2286 7 3 3 24 78.42 9.47 1.2195 6 4 4 24 79.10 3.37 1.2107 8 2 1 48 79.79 1.37 1.2020 6 5 3 48 81.15 2.22 1.1852 6 6 0 12 81.15 3.29 1.1852 8 2 2 24 83.19 4.25 1.1612 7 5 1 48 83.87 1.36 1.1536 6 6 2 24 84.55 1.90 1.1460 6 5 4 48 87.25 2.72 1.1174 6 6 3 24 88.60 4.59 1.1038 7 5 3 48 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.